ArticleMolecular diversity2023
Chemical similarity of molecules with physiological response.
Article in Molecular diversity, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
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Who cites it
5 citing papers in PubMed.
- Molecular similarity: Theory, applications, and perspectives.Artificial intelligence chemistry · 2024Article
- iSIM: instant similarity.Digital discovery · 2024Article
- On the relevance of query definition in the performance of 3D ligand-based virtual screening.Journal of computer-aided molecular design · 2024Article
- Recent advances in mass spectrometry-based computational metabolomics.Current opinion in chemical biology · 2023Review
- Article title: Transcriptional profiling efficacy to define biological activity similarity for cosmetic ingredients' safety assessment based on next-generation read-across.Frontiers in toxicology · 2022Article
Corrections and comments
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Authors and funding
2 authors.
Funding
Abstract
Measuring the similarity among molecules is an important task in various chemically oriented problems. This elusive concept is hard to define and quantify. Moreover, the complexity of the problem is elevated by bifurcating the notion of molecular similarity to structural and chemical similarity. While the structural similarity of molecules is being extensively researched, the so-called chemical similarity is being mentioned scarcely. Here, we propose a way of converting the physico-chemical properties into molecular fingerprints. Then, using the apparatus of measuring the structural similarity, the chemical similarity can be assessed. The proof of a concept is demonstrated on a set of molecules that induce diverse physiological responses.
Indexed as
Identifiers
35976549What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.